5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol

C19H20N2O2S — CID 67274111

IUPAC5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESCc1ccc(OC2CCN(c3ccc4scnc4c3O)CC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-13-2-4-14(5-3-13)23-15-8-10-21(11-9-15)16-6-7-17-18(19(16)22)20-12-24-17/h2-7,12,15,22H,8-11H2,1H3
InChIKeyNBKZFQMDAGULJM-UHFFFAOYSA-N
MW340.45 g/mol
LogP4.36
Rot. Bonds3

About 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol

5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol (PubChem CID 67274111) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol.

Molecular Properties

Compound Name5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
PubChem CID67274111
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol
SMILESCc1ccc(OC2CCN(c3ccc4scnc4c3O)CC2)cc1
InChIInChI=1S/C19H20N2O2S/c1-13-2-4-14(5-3-13)23-15-8-10-21(11-9-15)16-6-7-17-18(19(16)22)20-12-24-17/h2-7,12,15,22H,8-11H2,1H3
InChIKeyNBKZFQMDAGULJM-UHFFFAOYSA-N
XLogP4.36
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethenyl]-1,3-benzothiazole;hydrate;hydrochloride
CID 49860337
alpha-[1-[2-(4-Methoxyphenyl)ethyl]-4-piperidinyl]-2-benzothiazolemethanol
CID 18930333
2-(1,3-benzothiazol-4-yloxymethyl)-N-benzylaniline
CID 52942216
(E)-1-(4-Ethoxyphenyl)-N-(2-methyl-1,3-benzothiazol-5-YL)methanimine
CID 3408092
2-[4-[4-(Trifluoromethyl)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 67275721
5-[4-[3-(Trifluoromethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 90766327
5-[4-[[2-(1,1,2,2,2-Pentafluoroethoxy)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 91187009
5-[4-[2-(1,1,2,2,2-Pentafluoroethoxy)phenoxy]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 91294034
5-[4-[[2-(1,1,2,2,2-Pentafluoroethoxy)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol
CID 91317980
5-[4-[[3-(Trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol
CID 91448653
5-[4-[[3-(Trifluoromethoxy)phenyl]methyl]piperidin-1-yl]-1,3-benzothiazol-4-ol
CID 91490726
6-[4-[[4-(1,1,2,2,2-Pentafluoroethoxy)phenyl]methyl]piperazin-1-yl]-1,3-benzothiazol-4-ol
CID 91557619

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The IUPAC name of 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol (CID 67274111) is 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol.
What is the SMILES notation for 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The canonical SMILES for 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol is Cc1ccc(OC2CCN(c3ccc4scnc4c3O)CC2)cc1.
What is the InChIKey of 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
The InChIKey is NBKZFQMDAGULJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-2-4-14(5-3-13)23-15-8-10-21(11-9-15)16-6-7-17-18(19(16)22)20-12-24-17/h2-7,12,15,22H,8-11H2,1H3.
What are the key properties of 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol?
5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol has a molecular weight of 340.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylphenoxy)piperidin-1-yl]-1,3-benzothiazol-4-ol is sourced from PubChem (CID 67274111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).